6-[2-(2-hydroxyethoxy)ethylperoxy]-6-oxohexanoic acid

C10H18O7 — CID 88844301

IUPAC6-[2-(2-hydroxyethoxy)ethylperoxy]-6-oxohexanoic acid
SMILESO=C(O)CCCCC(=O)OOCCOCCO
InChIInChI=1S/C10H18O7/c11-5-6-15-7-8-16-17-10(14)4-2-1-3-9(12)13/h11H,1-8H2,(H,12,13)
InChIKeyDFKULDCTYMRXHF-UHFFFAOYSA-N
MW250.25 g/mol
LogP0.12
Rot. Bonds11

About 6-[2-(2-hydroxyethoxy)ethylperoxy]-6-oxohexanoic acid

6-[2-(2-hydroxyethoxy)ethylperoxy]-6-oxohexanoic acid (PubChem CID 88844301) has the molecular formula C10H18O7 and a molecular weight of 250.25 g/mol. Its IUPAC name is 6-[2-(2-hydroxyethoxy)ethylperoxy]-6-oxohexanoic acid.

Molecular Properties

Compound Name6-[2-(2-hydroxyethoxy)ethylperoxy]-6-oxohexanoic acid
PubChem CID88844301
Molecular FormulaC10H18O7
Molecular Weight250.25 g/mol
Exact Mass250.11
IUPAC Name6-[2-(2-hydroxyethoxy)ethylperoxy]-6-oxohexanoic acid
SMILESO=C(O)CCCCC(=O)OOCCOCCO
InChIInChI=1S/C10H18O7/c11-5-6-15-7-8-16-17-10(14)4-2-1-3-9(12)13/h11H,1-8H2,(H,12,13)
InChIKeyDFKULDCTYMRXHF-UHFFFAOYSA-N
XLogP0.12
TPSA102.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

bis(hexanedioic acid);2-(2-hydroxyethoxy)ethanol
CID 159827287
2-(2-hydroxyethoxy)ethyl dodecaneperoxoate
CID 174716237
bis(hexanoic acid);2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol
CID 87064442
21-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-18-oxohenicosanoic acid
CID 58249220
heptanoic acid;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 87510106
8-butylperoxy-8-oxooctanoic acid
CID 87528775
6-[2-[2-(5-carboxypentanoyloxy)ethoxy]ethoxy]-6-oxohexanoic acid
CID 88544057
6-O-[2-(2-hydroxyethoxy)ethyl] 1-O-(2-hydroxyethyl) hexanedioate
CID 87303267
12-O-[2-[2-[2-[12-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-12-oxododecanoyl]oxyethoxy]ethoxy]ethyl] 1-O-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl] dodecanedioate
CID 102469729
2-hydroxyethyl octadecaneperoxoate
CID 87676050
CID 172913435
CID 172913435
6-[6-[6-[6-[6-[6-[6-[6-[6-[6-[2-(2-methylprop-2-enoyloxy)ethoxy]hexanoylperoxy]hexanoylperoxy]hexanoylperoxy]hexanoylperoxy]hexanoylperoxy]hexanoylperoxy]hexanoylperoxy]hexanoylperoxy]hexanoylperoxy]hexanoic acid
CID 88979296

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-hydroxyethoxy)ethylperoxy]-6-oxohexanoic acid?
The IUPAC name of 6-[2-(2-hydroxyethoxy)ethylperoxy]-6-oxohexanoic acid (CID 88844301) is 6-[2-(2-hydroxyethoxy)ethylperoxy]-6-oxohexanoic acid.
What is the SMILES notation for 6-[2-(2-hydroxyethoxy)ethylperoxy]-6-oxohexanoic acid?
The canonical SMILES for 6-[2-(2-hydroxyethoxy)ethylperoxy]-6-oxohexanoic acid is O=C(O)CCCCC(=O)OOCCOCCO.
What is the InChIKey of 6-[2-(2-hydroxyethoxy)ethylperoxy]-6-oxohexanoic acid?
The InChIKey is DFKULDCTYMRXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O7/c11-5-6-15-7-8-16-17-10(14)4-2-1-3-9(12)13/h11H,1-8H2,(H,12,13).
What are the key properties of 6-[2-(2-hydroxyethoxy)ethylperoxy]-6-oxohexanoic acid?
6-[2-(2-hydroxyethoxy)ethylperoxy]-6-oxohexanoic acid has a molecular weight of 250.25 g/mol, XLogP of 0.12, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2-hydroxyethoxy)ethylperoxy]-6-oxohexanoic acid is sourced from PubChem (CID 88844301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).